2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine

C21H19F2N — CID 162039035

IUPAC2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
SMILESC=C1C=CC(c2ccccc2)=C(c2c(F)cc(C)cc2F)N1CC
InChIInChI=1S/C21H19F2N/c1-4-24-15(3)10-11-17(16-8-6-5-7-9-16)21(24)20-18(22)12-14(2)13-19(20)23/h5-13H,3-4H2,1-2H3
InChIKeyXRCLAIBJEQOVQW-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.55
Rot. Bonds3

About 2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine

2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine (PubChem CID 162039035) has the molecular formula C21H19F2N and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Name2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
PubChem CID162039035
Molecular FormulaC21H19F2N
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
SMILESC=C1C=CC(c2ccccc2)=C(c2c(F)cc(C)cc2F)N1CC
InChIInChI=1S/C21H19F2N/c1-4-24-15(3)10-11-17(16-8-6-5-7-9-16)21(24)20-18(22)12-14(2)13-19(20)23/h5-13H,3-4H2,1-2H3
InChIKeyXRCLAIBJEQOVQW-UHFFFAOYSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162140912
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 162140911
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane
CID 161091403
1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane
CID 159258863
2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine
CID 158261763
5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 158063386
2-(3,5-difluoro-4-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine
CID 158332776
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162109193
5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 159915225
2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine
CID 158106515
5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 160569676
2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162135829

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine?
The IUPAC name of 2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine (CID 162039035) is 2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine.
What is the SMILES notation for 2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine?
The canonical SMILES for 2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine is C=C1C=CC(c2ccccc2)=C(c2c(F)cc(C)cc2F)N1CC.
What is the InChIKey of 2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine?
The InChIKey is XRCLAIBJEQOVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N/c1-4-24-15(3)10-11-17(16-8-6-5-7-9-16)21(24)20-18(22)12-14(2)13-19(20)23/h5-13H,3-4H2,1-2H3.
What are the key properties of 2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine?
2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine has a molecular weight of 323.39 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 162039035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).